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Ethanone, 1-[6-(2-methyl-1,3-dithian-2-yl)-1,4-cyclohexadien-1-yl]-
SpectraBase Compound ID 95QnDK9dBrd
InChI InChI=1S/C13H18OS2/c1-10(14)11-6-3-4-7-12(11)13(2)15-8-5-9-16-13/h4,6-7,12H,3,5,8-9H2,1-2H3
InChIKey NVUZQMZZFPOKBZ-UHFFFAOYSA-N
Mol Weight 254.41 g/mol
Molecular Formula C13H18OS2
Exact Mass 254.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nhbQY6uk4J
Name Ethanone, 1-[6-(2-methyl-1,3-dithian-2-yl)-1,4-cyclohexadien-1-yl]-
Alternate Name(s) 1-[6-(2-methyl-1,3-dithian-2-yl)-1,4-cyclohexadien-1-yl]ethanone 1-[6-(2-methyl-1,3-dithian-2-yl)cyclohexa-1,4-dien-1-yl]ethanone
CAS Registry Number 129383-17-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18OS2
InChI InChI=1S/C13H18OS2/c1-10(14)11-6-3-4-7-12(11)13(2)15-8-5-9-16-13/h4,6-7,12H,3,5,8-9H2,1-2H3
InChIKey NVUZQMZZFPOKBZ-UHFFFAOYSA-N
Molecular Weight 254.406 g/mol
SMILES C=1(C(C2(SCCCS2)C)C=CCC1)C(=O)C
SPLASH splash10-001i-4900000000-63a94f0eefb0a350ce62
Source of Spectrum H-73-398-13
Wiley ID 1257472